3-[[(6-piperazin-1-ylpyrazin-2-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(6-piperazin-1-ylpyrazin-2-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-piperazin-1-ylpyrazin-2-yl)amino]methyl]benzonitrile CAS Name: 3-[[[6-(1-piperazinyl)-2-pyrazinyl]amino]methyl]benzonitrile IUPAC Name: 3-[[(6-piperazin-1-ylpyrazin-2-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(6-piperazinopyrazin-2-yl)amino]methyl]benzonitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=CC(=N2)NCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1)C2=CN=CC(=N2)NCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H18N6/c17-9-13-2-1-3-14(8-13)10-20-15-11-19-12-16(21-15)22-6-4-18-5-7-22/h1-3,8,11-12,18H,4-7,10H2,(H,20,21)